Crystal structure of the metallo-beta-lactamase L1 in complex with the bisthiazolidine inhibitor L-CS319

Structure

x-ray diffraction · 1 distinct chain · 30% helix, 24% strand (DSSP).

Ligands and binding sites

• 3C7 · (3R,5R,7aS)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid · ligand · chains A
• ZN · Zinc ion · metal · 2 copies · chains A
• SO4 · Sulfate ion · ion · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

• 5EVK · Crystal structure of the metallo-beta-lactamase L1 in complex with the bisthiazolidine… · the same entry in another collection · chain A against A, TM-score 1.00
• P52700 · AlphaFold monomer V2.0 prediction for metallo-beta-lactamase L1 type 3 (P52700) · a predicted model of the same protein · chain A against A, TM-score 1.00

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt P52700
• Elsewhere: RCSB PDB 5EVK · PDBe 5EVK · UniProt P52700